(2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid

C13H16N2O6 — CID 107820927

IUPAC(2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)c1ccc(C)[nH]c1=O)C(=O)O
InChIInChI=1S/C13H16N2O6/c1-7-3-4-8(11(17)14-7)12(18)15-9(13(19)20)5-6-10(16)21-2/h3-4,9H,5-6H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)/t9-/m1/s1
InChIKeyMKYVZOXMTDLLLM-SECBINFHSA-N
MW296.28 g/mol
LogP-0.18
Rot. Bonds6

About (2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid

(2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 107820927) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is (2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid
PubChem CID107820927
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name(2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)c1ccc(C)[nH]c1=O)C(=O)O
InChIInChI=1S/C13H16N2O6/c1-7-3-4-8(11(17)14-7)12(18)15-9(13(19)20)5-6-10(16)21-2/h3-4,9H,5-6H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)/t9-/m1/s1
InChIKeyMKYVZOXMTDLLLM-SECBINFHSA-N
XLogP-0.18
TPSA125.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 114004919
(2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 107820528
2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780822
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786310
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
(2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820629
(2R)-2-[(2,4-dihydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820519
2-[(2,4-dichlorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780716
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780387
2-[(2,4-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780270
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
(2R)-2-[(2-bromo-3-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107981575

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid (CID 107820927) is (2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)c1ccc(C)[nH]c1=O)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is MKYVZOXMTDLLLM-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2O6/c1-7-3-4-8(11(17)14-7)12(18)15-9(13(19)20)5-6-10(16)21-2/h3-4,9H,5-6H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid?
(2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 296.28 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107820927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).